| Phytochemical Name : Plumieride |
| PCNDIDP0136 |
| Pubchem CID : 72319 |
| Molecular formula: C21H26O12 |
| Canonical SMILES : CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)O |
Synonymes : Plumieride|agoniadin|511-89-7|CHEBI:8275|UNII-71A048XW8V|methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate|71A048XW8V|methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate|AC1L2HUJ|AC1Q6BJ5|NSC-609065|PLUMIERIDE [MI]|SureCN419720|SCHEMBL419720|CHEMBL464470|DTXSID40199109|BDBM50480285|C21H26O12|AKOS032948813|NSC 609065|Plumieride, >=95% (LC/MS-ELSD)|C21-H26-O12|NCGC00347624-02|C09797|Q27108027|(1S,2R,4AS,7AS)-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-4A,7A-DIHYDRO-4-((1S)-1-HYDROXYETHYL)-5-OXOSPIRO(CYCLOPENTA(C)PYRAN-7(1H),2(5H)-FURAN)-4-CARBOXYLIC ACID METHYL ESTER|SPIRO(CYCLOPENTA(C)PYRAN-7(1H),2'(5'H)-FURAN)-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-4A,7A-DIHYDRO-4'-((1S)-1-HYDROXYETHYL)-5'-OXO-, METHYL ESTER, (1S,2'R,4AS,7AS)-|Spiro(cyclopenta(c)pyran-7(1H),2'(5'H)-furan)-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-4a,7a-dihydro-4-(1-hydroxyethyl)-5'-oxo-, methyl ester, (1S-(1alpha,4aalpha,7alpha(R*),7aalpha))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.430 |
| Log Po/w (XLOGP3) : -1.200 |
| Log Po/w (WLOGP) : -2.380 |
| Log Po/w (MLOGP) : -1.820 |
| Log Po/w (SILICOS-IT) : -2.080 |
| Consensus Log Po/w : -1.010 |

